CID 88608

20601-38-1

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

C1CC(CCC1C2CCC(CC2)O)O

InChI

InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2

InChIKey

MZXNOAWIRQFYDB-UHFFFAOYSA-N

Compound name

4-(4-hydroxycyclohexyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1357
Patents: 198.16199 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	199.169266	148.0
[M+Na]+	221.151208	150.2
[M-H]-	197.154714	150.4
[M+NH4]+	216.195813	165.5
[M+K]+	237.125148	147.3
[M+H-H2O]+	181.159250	141.9
[M+HCOO]-	243.160191	161.7
[M+CH3COO]-	257.175841	179.4
[M+Na-2H]-	219.136656	148.7
[M]+	198.16144142	137.6
[M]-	198.16253858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe